JHH77-Log

Assignment one:
Inputted on 11/7/2012

Source Data is listed here and converted to common data on the cheminfo sheet.
Chemical: (Z)-2-methyl-1,3-pentadiene
CSID: 4575651 Chem Spider Link
CAS #: 1501-60-6
SMILES: C=C(C)/C=CC

PROPERTIES:
Boiling Point:
64.5C Wolfram Alpha
77.0C Guide Chem

Melting Point:
-117.6C Wolfram Alpha

Density:
1.029 g/cm3 Wolfram Alpha
0.707 g/cm3 Guide Chem

Refractive Index:
1.44511 Wolfram Alpha
1.421 Guide Chem

Vapour Pressure:
108 mmHG at 25C Guide Chem

Chemical: 2-methyl-4 (5)-nitroimidazole
CSID: 12236 Chem Spider Link
CAS: 696-23-1
SMILES: [O-][N+](=O)c1cnc(n1)C

PROPERTIES:
Melting Point:
254C-256C Springer Link

Boiling Point:
399.5C Sigma Aldrich

Flash Point:
195.4C Sigma Aldrich

LD50 Oral-rat:
1540mg/kg Sigma Aldrich

Density:
1.426 g/cm3 Look Chem

Vapour Pressure:
3.14 E-06 mmHG at 25C Chem Net

Refractive Index:
1.591 Chem Cas

Log P
0.42 DOI Link

Chemical: 21h,23h-porphine
CSID: 10447586 Chem Spider Link
CAS: 101-60-0
SMILES: n2c3cc5nc(cc4ccc(cc1C=Cc(n1)cc2cc3)n4)C=C5

PROPERTIES:
Density:
1.336 g/cm3 Wolfram Alpha
1.353 g/cm3 Look Chem

Boiling Point:
804.4C Look Chem

Flash Point:
377.5C Weiku

Chemical: debrisoquin
CSID: 2860 Chem Spider Link
CAS: 1131-64-2
SMILES:N=C(N)N1Cc2ccccc2CC1

PROPERTIES:
Boiling Point:
309.8C Weiku

Flash point:
141.1C Weiku

Vapour Pressure:
0.000626 mm HG at 25C Chem Net

Log P:
0.58 Drug Bank
1.07 Drug Bank

pKa:
0 Drug Bank

Chemical:(2R)-3-(2,3-Dimethoxyphenoxy)-1,2-propanediol
CSID:8784747 Chem Spider Link
CAS: 329966-17-8
SMILES: c1(c(cccc1OC)OCC(CO)O)OC

Melting Point:
93-96 C DOI Link

Chemical:pentane, 2,2-dichloro-
CSID: 125208 Chem Spider Link
CAS: 34887-14-4
SMILES: CC(Cl)(Cl)CCC

PROPERTIES:
Melting Point:
129.9 C ChemNet

Density:
1053 g/cm3 ChemNet

Refractive Index:
1.434 ChemNet

Flash Point:
31.5 C ChemNet

Vapour Pressure:
12.1 mmHG at 25C ChemNet


Assignment 2 and Final Paper:
I would like to do surfactants and builders in Detergents since all my work, research, and focus at work is on. I can do history, what is involved in detergents or just talk about the chemistry of how surfactants and builders work in chemically. Thanks.

Summary:
Shen, C.Y.; Dyroff, D.R. (1966) “Hydrolyic Degradation of Sodium Tripolyphosphate in Concentrated Solutions and in Presence of Foreign Ions” Ind. Eng. Chem. Prod. Res. Dev. 5 (2) 97-100 DOI Link


Abstract
-Sodium Tripolyphosphate rate of degradation is first order and affected by concentration of solids or sodium ions and to a smaller degree by traces of multivalent cations.

Introduction
-Sodium Tripolyphosphate is a builder in detergent formulations.
-Tripolyphosphate’s rate of degradation seems to be of first order kinectics.
-The previous results did not take in consideration the different variables such as catalytic effects of metal ions and concentrated solutions versus dilute solutions
-Purpose of the paper’s work is to take in consideration of different variables of a concentrated solutions, effect of metal ions, and effect of chelating agents.

Experimental
Chemicals
-Description of the chemicals used in the experiment and preparation of the chemicals.

Procedure and Conditions
-Description of the conditions and procedures of the Tripolyphosphate and flasks are given.
-Descriptions of the conditions and procedures of the potassium acetate solution are explained. Experimenters gave a description of the ion exchange chromatography set up and execution.
-Procedures and conditions of the test solutions, steel capsules, hot oil bath, and acetone dry ice mixture are described.

Results and Discussion
Na5P3O10-Na2SO4-Na2Si03-H2O Series
-This series of test solutions were used to imitate the aqueous phase of the detergent slurry. This showed that the solubility of Tripolyphosphates was affected by high pH and high concentration of other salts.
-The addition of disodium EDTA to the test solutions kept the pH of the solution near 11.1
-Higher temperature, 70oC, reduced the degradation rate of Tripolyphosphate.
-Confirmed the first order rate of degradation of Tripolyphosphate and total solids concentration increased the first order constant exponentially.
-Pyro- and Orthophosphate did not follow first-order reaction
-Mole ratio of Pyro- and Orthophosphate did not follow 1:1 and the cause of the deviation is not sulfate and silicate anions.
-One possible explanation is that the products retain first-order kinetics, is that the formation of an activated complex of Tripolyphosphate occurs first and the deactivation step is not rate controlling.
-The activated complex of Tripolyphosphate’s actual composition is uncertain because of water and cations.
-The postulated reaction does not take in account of phosphate polyanions complexes and alkali metal cations but is more adequate than previous equation.
- The 35% solution (most concentration) maintained the first order kinetics at 100oC and 120oC and the activation energy is within the expected range.

Effects of Fe(III), Ca(II), Cl-, SO4-2, and EDTA on Degradation of Tripolyphosphate
-Test solutions studies were conducted at 70oC and the pH decreased to 7 as the reaction occurred.
-Tripolyphosphate’s degradation is pseudo zero-order reaction because of the variation of pH and concentrations.
-Pyro- and Orthophosphate followed the same pattern shown for buffered solutions.
-The degradation rate increased in the presence of sodium chloride and sodium sulfate.
-Different cations and anions had different effects on the degradation rate. FE (III) increased the degradation rate while Ca (II) decreased the degradation rate. Multivalent cations had a greater effect on increasing the degradation rate than univalent ions.

Conclusion
-The concentration of the solutions and the univalent and multivalent ions has an effect on the degradation rate of the Tripolyphosphate. This should be considered in the overall rate of degradation of Tripolyphosphate in solutions. The overall reaction kinetics is confirmed to be first-ordered.